1-(6-chloranylpyridazin-3-yl)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-4-carboxamide Openeye Name: 1-(6-chloropyridazin-3-yl)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-4-carboxamide CAS Name: 1-(6-chloro-3-pyridazinyl)-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(6-chloropyridazin-3-yl)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-4-carboxamide Traditional Name: 1-(6-chloropyridazin-3-yl)-N-[4-(isovalerylamino)phenyl]isonipecotamide Formula: C21H26ClN5O2 MolecularWeight: 415.91644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)Cl

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN5O2/c1-14(2)13-20(28)23-16-3-5-17(6-4-16)24-21(29)15-9-11-27(12-10-15)19-8-7-18(22)25-26-19/h3-8,14-15H,9-13H2,1-2H3,(H,23,28)(H,24,29)